[1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine

C14H19ClN2O — CID 117420817

IUPAC[1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
SMILESCN1CC(Oc2ccc(C3(CN)CC3)cc2Cl)C1
InChIInChI=1S/C14H19ClN2O/c1-17-7-11(8-17)18-13-3-2-10(6-12(13)15)14(9-16)4-5-14/h2-3,6,11H,4-5,7-9,16H2,1H3
InChIKeyTWCDEKWWYZUGSY-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.02
Rot. Bonds4

About [1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine

[1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine (PubChem CID 117420817) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is [1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
PubChem CID117420817
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name[1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
SMILESCN1CC(Oc2ccc(C3(CN)CC3)cc2Cl)C1
InChIInChI=1S/C14H19ClN2O/c1-17-7-11(8-17)18-13-3-2-10(6-12(13)15)14(9-16)4-5-14/h2-3,6,11H,4-5,7-9,16H2,1H3
InChIKeyTWCDEKWWYZUGSY-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117452536
[1-[3-chloro-4-(thietan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117496547
[1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
CID 117336793
[1-(3-chloro-4-ethoxyphenyl)cyclopentyl]methanamine
CID 82499574
3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine
CID 115005357
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine
CID 117405631
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine
CID 117438827
3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propanal
CID 117387535
2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid
CID 117450821
[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol
CID 143403316
[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine
CID 117348294

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine (CID 117420817) is [1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine is CN1CC(Oc2ccc(C3(CN)CC3)cc2Cl)C1.
What is the InChIKey of [1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine?
The InChIKey is TWCDEKWWYZUGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-17-7-11(8-17)18-13-3-2-10(6-12(13)15)14(9-16)4-5-14/h2-3,6,11H,4-5,7-9,16H2,1H3.
What are the key properties of [1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine?
[1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine has a molecular weight of 266.77 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117420817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).